RDKit
Open-source cheminformatics and machine learning.
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Fragment.h File Reference

Go to the source code of this file.

Classes

class  RDKit::MolStandardize::FragmentRemover
 
class  RDKit::MolStandardize::LargestFragmentChooser
 
struct  RDKit::MolStandardize::LargestFragmentChooser::Largest
 

Namespaces

namespace  RDKit
 Std stuff.
 
namespace  RDKit::MolStandardize
 

Typedefs

typedef RDCatalog::HierarchCatalog< FragmentCatalogEntry, FragmentCatalogParams, intRDKit::MolStandardize::FragmentCatalog
 

Functions

FragmentRemoverRDKit::MolStandardize::fragmentRemoverFromParams (const CleanupParameters &params, bool leave_last=true, bool skip_if_all_match=false)